Materials Data on Rb4Ge23 by Materials Project

Abstract

Rb4Ge23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are six inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.57 Å) and twelve longer (3.67 Å) Rb–Ge bond lengths. In the second Rb site, Rb is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.57 Å) and twelve longer (3.67 Å) Rb–Ge bond lengths. In the third Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. In the fourth Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. In the fifth Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. In the sixth Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. There are twenty-four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the seventh Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the eighth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the ninth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the tenth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the eleventh Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the twelfth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the thirteenth Ge site, Ge is bonded to four Rb and four Ge atoms to form distorted corner-sharing GeRb4Ge4 tetrahedra. In the fourteenth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the fifteenth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the sixteenth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the seventeenth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the eighteenth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the nineteenth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twentieth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twenty-first Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twenty-second Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twenty-third Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. All Ge–Ge bond lengths are 2.57 Å. In the twenty-fourth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. All Ge–Ge bond lengths are 2.57 Å.